HMDB0002326 RDKit 3D Coumesterol 28 31 0 0 0 0 0 0 0 0999 V2000 0.6047 -0.5513 2.9808 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1395 -0.3064 1.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -0.2614 2.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1909 0.0000 1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5736 0.0434 1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3827 0.3134 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7742 0.3508 0.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8188 0.5501 -1.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4329 0.5146 -1.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6509 0.2414 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 0.2000 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5236 0.3817 -1.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7818 0.2445 -0.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0021 0.3315 -1.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 0.1240 -0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3647 0.2157 -1.6396 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -0.1633 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9622 -0.2444 1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7952 -0.0453 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 -0.0760 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0008 -0.1476 2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1751 0.1698 1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 0.7681 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 0.6969 -2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9886 0.5571 -2.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2636 0.0760 -1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1171 -0.3232 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 -0.4698 2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 2 1 0 10 4 1 0 20 11 2 0 19 13 1 0 5 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 14 25 1 0 16 26 1 0 17 27 1 0 18 28 1 0 M END